2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol

C14H20O — CID 82077015

IUPAC2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol
SMILESCc1ccc(C)c2c1C(C)CC2CCO
InChIInChI=1S/C14H20O/c1-9-4-5-10(2)14-12(6-7-15)8-11(3)13(9)14/h4-5,11-12,15H,6-8H2,1-3H3
InChIKeyFYMJRZWLGWOXKK-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.28
Rot. Bonds2

About 2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol

2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol (PubChem CID 82077015) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol
PubChem CID82077015
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol
SMILESCc1ccc(C)c2c1C(C)CC2CCO
InChIInChI=1S/C14H20O/c1-9-4-5-10(2)14-12(6-7-15)8-11(3)13(9)14/h4-5,11-12,15H,6-8H2,1-3H3
InChIKeyFYMJRZWLGWOXKK-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol?
The IUPAC name of 2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol (CID 82077015) is 2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol.
What is the SMILES notation for 2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol?
The canonical SMILES for 2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol is Cc1ccc(C)c2c1C(C)CC2CCO.
What is the InChIKey of 2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol?
The InChIKey is FYMJRZWLGWOXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9-4-5-10(2)14-12(6-7-15)8-11(3)13(9)14/h4-5,11-12,15H,6-8H2,1-3H3.
What are the key properties of 2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol?
2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol has a molecular weight of 204.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,7-trimethyl-2,3-dihydro-1H-inden-1-yl)ethanol is sourced from PubChem (CID 82077015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).